SCHEMBL6440352

SCHEMBL6440352

CCCCc1nc2cnc3cccc(N)c3c2n1CCCCCS(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 8/20 0.42
TLR8 Q9NR97 5/20 0.42
LMNA P02545 3/20 0.38
TP53 P04637 2/20 0.38
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
DYRK1A Q13627 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5355227 0.85 TLR7 (0.51) TLR7TLR8LMNATP53PDE4A
SCHEMBL5362485 0.82 TLR7 (0.52) TLR7TLR8LMNATP53PDE4A
SCHEMBL5349584 0.75 TLR7 (0.52) TLR7TLR8TP53GAAHTT
SCHEMBL483645 0.74 TLR7 (0.76) TLR7TLR8
SCHEMBL31006040 0.74 TLR7 (0.76) TLR7TLR8
SCHEMBL5362468 0.73 TLR7 (0.41) TLR7TLR8SMN1; SMN2
SCHEMBL5360565 0.73 TLR7 (0.77) TLR7TLR8
SCHEMBL5357057 0.73 TLR7 (0.53) TLR7TLR8PDE4APDE4BPDE4C
SCHEMBL1896335 0.72 TLR7 (0.47) TLR7TLR8ALDH1A1PDE4APDE4B
SCHEMBL4792955 0.72 TLR7 (0.45) TLR7TLR8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1541572-A1 Thioether substituted imidazoquinolines 3M Innovative Properties Company (US) 2005-06-15 EP disclosed